J031-1893 Screening compound: N-(4-acetylphenyl)-8-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide

J031-1893 Screening compound: N-(4-acetylphenyl)-8-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
J031-1893 Screening compound: N-(4-acetylphenyl)-8-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J031-1893
N-(4-acetylphenyl)-8-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

J031-1893

Molecular Formula

C19H19NO4 (C19 H19 NO4)

Compound Name

N-(4-acetylphenyl)-8-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide

IUPAC name

N-(4-acetylphenyl)-8-methyl-34-dihydro-2H-15-benzodioxepine-7-carboxamide

SMILES

CC(c(cc1)ccc1NC(c1c(C)cc2OCCCOc2c1)=O)=O

InChI

InChI=1S/C19H19NO4/c1-12-10-17-18(24-9-3-8-23-17)11-16(12)19(22)20-15-6-4-14(5-7-15)13(2)21/h4-7,10-11H,3,8-9H2,1-2H3,(H,20,22)

InChI Key

PEUTXDYRFHOXSH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27221119

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

325.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.419

Distribution Coefficient, logD

2.415

Water Solubility, LogSw

-3.02

Polar Surface Area

53.310

Acid Dissociation Constant (pKa)

9.49

Base Dissociation Constant (pKb)

-3.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

J031-1893 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with J031-1893 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J031-1893?
Check Price and Availability of J031-1893, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of J031-1893 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J031-1893
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J031-1893
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of J031-1893 available by request